CID 71601078

1356600-78-6

Structural Information

Molecular Formula
C11H13NO5
SMILES
CC(C)(C)OC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C11H13NO5/c1-11(2,3)17-10(14)8-5-4-7(12(15)16)6-9(8)13/h4-6,13H,1-3H3
InChIKey
MNCYASOVEQTTRC-UHFFFAOYSA-N
Compound name
tert-butyl 2-hydroxy-4-nitrobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

239.07938 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.086656 149.1
[M+Na]+ 262.068598 156.3
[M-H]- 238.072104 152.1
[M+NH4]+ 257.113203 165.7
[M+K]+ 278.042538 151.3
[M+H-H2O]+ 222.076640 148.5
[M+HCOO]- 284.077581 171.1
[M+CH3COO]- 298.093231 182.9
[M+Na-2H]- 260.054046 155.8
[M]+ 239.07883142 149.8
[M]- 239.07992858 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe